Exploring the Anti-Colon Cancer Potential of Polygonum minus: Integrating In Vitro and In Silico Studies
Food Bioscience,
Год журнала:
2025,
Номер
64, С. 105853 - 105853
Опубликована: Янв. 6, 2025
Язык: Английский
Expression of PPAR-γ TF by newly synthesized thiazolidine-2,4-diones to manage glycemic control: Insights from in silico, in vitro and experimental pharmacology in wistar rats
Bioorganic Chemistry,
Год журнала:
2024,
Номер
153, С. 107966 - 107966
Опубликована: Ноя. 17, 2024
Язык: Английский
Discovery of new thiazolidin-4-one and thiazole nucleus incorporation sulfaguanidine scaffold as new class of antimicrobial agents: Design, synthesis, in silico ADMET, and docking simulation
Journal of Molecular Structure,
Год журнала:
2025,
Номер
unknown, С. 141879 - 141879
Опубликована: Фев. 1, 2025
Язык: Английский
Novel 3‐Substituted‐2H‐Chromene Scaffold Based Fluorinated Hydrophobic Fragment as In‐Vitro Antiproliferative Agents and Apoptosis Inducers Targeting Both VEGFR‐2/BRAFV600E and h‐DHFR With Molecular Docking Simulation
Drug Development Research,
Год журнала:
2025,
Номер
86(2)
Опубликована: Март 28, 2025
ABSTRACT
Recently,
there
has
been
an
increasing
interest
in
the
use
of
protein
kinase
inhibitors
as
a
therapeutic
strategy
for
treatment
cancer.
In
this
study,
new
series
2
H
‐chromene
derivatives
(
‐
5
and
6
8
)
3
‐benzo[
f
]chromene
carbohydrazide
derivative
9
were
synthesized.
The
structure
designed
was
characterized
by
IR,
1
H/
13
C
NMR,
elemental
analysis.
Moreover,
cytotoxic
activity
newly
synthesized
chromenes
evaluated
against
breast
cancer
cell
lines
(MDA‐MB‐231
MCF‐7)
cervical
line
(HeLa).
results
these
evaluations
demonstrated
promising
activity,
ranging
from
good
to
moderate.
Additionally,
lung
fibroblast
(WI‐38),
normal
line,
also
utilized
assess
active
derivatives'
selectivity.
Among
compounds
tested,
chromene
highest
potency,
exhibiting
IC
50
values
5.36
±
0.50,
7.82
0.60,
9.28
0.70
µM
MDA‐MB
231,
MCF‐7,
HeLa
lines,
respectively.
potential
chromone
multi‐targeted
anticancer
agent
assessed
evaluating
its
BRAF
VEGFR‐2.
Notably,
most
significant
VEGFR2
with
value
0.224
compared
sorafenib's
0.045
µM,
while
inhibitory
1.695
relative
Vemurafenib's
0.468
µM.
addition,
compound
inhibits
DHFR
enzyme
2.217
0.014
methotrexate
(IC
=
0.4315
0.019
µM).
These
revealed
that
multifaceted
mechanisms
action
may
augment
effectiveness.
causes
overexpression
caspase‐3
Bax
6.13
8.85‐fold,
It
downregulates
antiapoptotic
Bcl‐2
level
0.4775‐fold
untreated
231
cells.
Flow
cytometry
analysis
MDA‐MB‐231
cells
indicates
induces
cycle
arrest
G0‐G1
phase,
observed
percentage
73.15%.
in‐silico
toxicity
prediction
profile.
Finally,
molecular
docking
studies
supported
findings
confirming
strong
binding
affinities
VEGFR‐2,
BRAF,
DHFR.
Язык: Английский
A review on computational tools for antidiabetic herbs research
Discover Chemistry.,
Год журнала:
2025,
Номер
2(1)
Опубликована: Апрель 15, 2025
Язык: Английский
Design And Synthesis Of Novel Thiazole Linked Tetrahydropyridine Analogues As Anticancer Agents
Chemistry & Biodiversity,
Год журнала:
2024,
Номер
unknown
Опубликована: Ноя. 11, 2024
Abstract
A
library
of
new
thiazole
linked
tetrahydropyridines
(
6a
–
q
)
synthesized
and
screened
for
their
invitro
anticancer
activity
against
human
breast
adeno
carcinoma
cell
viz.
MCF‐7
MDA‐MB‐231.
The
two
compounds
6d
containing
−F
−Cl
functions
in
para
meta
position
phenyl
ring
9.94±1.02
μM
,
9.78±1.08
μM)
6e
with
−NH
2
on
pyridine
9.72±0.91
9.54±0.95
demonstrated
outstanding
both
the
lines
when
compared
to
Doxorubicin
.
benzofuran
analogue
6o
presented
good
an
IC
50
value
12.19±1.03
(MCF‐7)
12.22±1.07
(MDA‐MB‐231).
molecular
docking
study
potent
molecule
crystal
structure
tumor
kinase
promising
score
binding
interactions.
Predicted
pharmacokinetics
properties
boiled
diagram
implied
favourable
drug‐likeness
properties.
Язык: Английский